Met004352: Malonic acid
Metabolite Information
Name
Malonic acid
IUPAC Name
propanedioic acid
Molecular Formula
C3H4O4
Molecular Weight
104.06
Exact Mass
104.0109586
SMILES
C(C(=O)O)C(=O)O
InChIKey
OFOBLEOULBTSOW-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Dicarboxylic acids and derivatives
Crops containing this metabolite
astragalus
wheat
wheat
Metabolite Spectrum Accession Label